Thomas A. Niehaus

1. DFTB+, a software package for efficient approximate density functional theory based atomistic simulations
   2020/03/23 by B. Hourahine, Bálint Aradi, Volker Blüm +36 · 19 citations
   Earth and Planetary Sciences · Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Machine Learning in Materials Science #nanoparticles nucleation surface interactions
2. Ground-to-excited derivative couplings for the density functional based\n tight-binding method: Semi-local and long-range corrected formulations
   2020/10/28 by Thomas A. Niehaus, Niehaus, Thomas A. · 2 citations
   Physics and Astronomy · Chemistry · #Spectroscopy and Quantum Chemical Studies #Photochemistry and Electron Transfer Studies #Advanced Chemical Physics Studies
3. Implementation and benchmark of a long-range corrected functional in the\n density functional based tight-binding method
   2015/04/01 by V. Lutsker, Lutsker, Vitalij, Bálint Aradi +3 · 1 citation
   Physics and Astronomy · Chemistry · #Advanced Chemical Physics Studies #Spectroscopy and Quantum Chemical Studies #Photochemistry and Electron Transfer Studies